SCHEMBL10446813

SCHEMBL10446813

COc1ccc(OC)c2c1CC(N(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F)C2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 12/20 0.50
▸ DCUN1D1 Q96GG9 12/20 0.50
▸ RAB9A P51151 2/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ HTT P42858 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10446828 0.90 UBE2M (0.50) UBE2MDCUN1D1RAB9ACYP1A2CYP3A4
SCHEMBL10447161 0.89 UBE2M (0.49) UBE2MDCUN1D1RAB9AMEN1KMT2A
SCHEMBL10446649 0.88 UBE2M (0.46) UBE2MDCUN1D1RAB9ALMNAPOLB
SCHEMBL10446830 0.85 MEN1 (0.52) UBE2MDCUN1D1RAB9ACYP1A2CYP3A4
SCHEMBL10447157 0.83 NPSR1 (0.48) UBE2MDCUN1D1RAB9ACYP1A2CYP3A4
SCHEMBL10446424 0.83 RAB9A (0.46) UBE2MDCUN1D1RAB9ACYP1A2CYP3A4
SCHEMBL10446680 0.82 UBE2M (0.50) UBE2MDCUN1D1RAB9APOLBPPARG
SCHEMBL10447005 0.81 MEN1 (0.52) UBE2MDCUN1D1RAB9ACYP1A2CYP3A4
SCHEMBL10446599 0.81 MEN1 (0.44) UBE2MDCUN1D1RAB9ACYP1A2CYP3A4
SCHEMBL10446628 0.80 UBE2M (0.49) UBE2MDCUN1D1RAB9AMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 — — EP disclosed
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